Molecular understanding of the LCST phase behaviour of P(MEO2MA-b-OEGMA) block copolymers
Molecular understanding of the LCST phase behaviour of P(MEO2MA-b-OEGMA) block copolymers
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P(MEO2MA-b-OEGMA)嵌段共聚物LCST相行为的分子理解
DOI：
10.1080/08927022.2020.1869735
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发表时间：
2021-02
影响因子：
2.1
通讯作者：
Honglai Liu
中科院分区：
文献类型：
--
作者：
Zhicheng Ye;Haiping Su;Cheng Lian;Jiajie Hu;Yazhuo Shang;Honglai Liu
摘要采用分子动力学模拟方法研究了甲基丙烯酸2-（2-甲氧基乙氧基）乙酯和低聚乙二醇甲基丙烯酸酯嵌段共聚物（P（MEO 2 MA-b-OEGMA））的低临界溶解温度（LCST）行为。模拟结果表明，P（MEO 2 MA-b-OEGMA）的LCST与其OEGMA嵌段比呈线性关系，这与我们以前的实验结果一致。同时，我们的模拟也揭示了LCST相行为的机制。共聚物的亲水效应和水的熵效应是影响共聚物聚集体行为的主要因素，并进而影响其LCST。当温度较低时，亲水作用占主导地位，这些水分子容易聚集在共聚物周围，共聚物以卷曲状态存在。温度越高，水的熵效应越明显，共聚物越趋向于球形。当温度达到一定程度时，即LCST时，共聚物的亲水效应和水的熵效应之间的竞争达到平衡。
ABSTRACT The lower critical solution temperature (LCST) behaviour of block copolymer 2-(2-methoxyethoxy) ethyl methacrylate and oligo (ethylene glycol) methacrylate (P(MEO2MA-b-OEGMA)) was studied by molecular dynamics simulations. Our simulations show that the LCST of P(MEO2MA-b-OEGMA) is linear to its OEGMA block ratio, which is agreed with our previous experimental observations. Meanwhile, the mechanism of the LCST phase behaviour was also revealed by our simulations. The hydrophilic effect of copolymer and the entropy effect of water are the main factors of affecting the aggregate behaviours of copolymers and further affect their LCSTs. The hydrophilic effect is dominant and these water molecules are apt to gather around the copolymers and the copolymers exist in a coil state when the temperature is relatively lower. However, the entropy effect of water prevails and the copolymers tend to in a globule state when the temperature is higher. The coil-to-globule transition occurs when the temperature reaches a certain degree, namely LCST, at which the competition between the hydrophilic effect of copolymer and entropy effect of water reaches a balance.
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影响因子：
3.3
作者：
Payal Narang;P. Venkatesu
通讯作者：
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影响因子：
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作者：
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作者：
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通讯作者：
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DOI：
10.1016/j.colsurfb.2019.110637
发表时间：
2019-11
期刊：
Colloids and surfaces. B, Biointerfaces
影响因子：
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作者：
R. Yadav;Kanakaraj Aruchamy;D. Mondal;P. Venkatesu
通讯作者：
R. Yadav;Kanakaraj Aruchamy;D. Mondal;P. Venkatesu
DOI：
10.1021/bk-2009-1023.ch013
发表时间：
2009
期刊：
--
影响因子：
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作者：
Ö. Akdemir;N. Badi;Sebastian Pfeifer;Zoya Zarafshani;A. Laschewsky;E. Wischerhoff;Jean‐François Lutz
通讯作者：
Ö. Akdemir;N. Badi;Sebastian Pfeifer;Zoya Zarafshani;A. Laschewsky;E. Wischerhoff;Jean‐François Lutz